NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1787 8.2644 123.5843 52.2485 19.7799 177.6809 2 C 4.4243 8.4868 121.1638 55.1791 42.4994 171.1210 3 D 4.3950 9.6419 128.1577 55.2752 42.6425 175.9369 4 Y 4.9266 7.9104 115.0142 56.4588 43.1341 173.8781 5 T 5.0505 8.7109 111.8942 60.1692 72.0353 173.4881 6 C 4.8234 9.1691 123.7364 55.7093 42.5942 174.0661 7 G 3.9599 8.3683 117.0991 47.1373 0.0000 173.2408 8 S 4.6319 8.7614 119.6371 57.7828 63.2989 173.3333 9 N 4.7059 8.1731 119.3150 52.4113 39.7725 173.1581 10 C 5.3203 8.0854 118.6085 55.4182 42.8153 172.9242 11 Y 5.2348 9.0926 119.8268 56.3697 42.2553 174.9990 12 S 5.0820 9.5107 117.4957 57.1741 65.3872 175.0499 13 S 4.2495 9.2012 115.2426 61.7555 61.8447 176.6909 14 S 4.1437 8.0628 116.4795 61.4281 62.9255 175.9362 15 D 4.3842 8.1459 122.6033 57.2007 40.5668 179.0915 16 V 3.4780 8.0547 118.6898 66.0702 31.5788 178.3170 17 S 4.0897 8.3378 115.1472 61.7169 62.4946 176.8389 18 T 3.7933 8.2079 118.4285 66.5074 68.3350 176.4520 19 A 4.1315 7.9249 122.5321 55.3604 18.5101 179.1585 20 Q 3.6722 8.1683 117.7421 59.4086 29.0377 178.6387 21 A 3.8117 7.7744 121.1525 54.9940 18.3470 179.4948 22 A 3.7890 7.6409 119.0798 55.1741 18.5001 180.0620 23 G 2.3521 6.7649 103.8788 47.6060 0.0000 175.2927 24 Y 3.6118 7.5411 122.3691 60.0746 38.6879 177.9449 25 K 3.7601 7.8007 119.4439 59.3760 31.9574 179.3712 26 L 3.8435 7.5448 119.2934 57.6950 41.5182 178.7621 27 H 3.9321 7.9391 118.2705 59.4366 29.5124 177.0887 28 E 3.6229 7.5307 118.8598 59.3925 29.3540 178.8187 29 D 4.4651 7.9799 117.1834 54.7258 40.8767 177.1198 30 G 3.7964 7.5348 107.0427 46.2838 0.0000 173.1520 31 E 4.7615 7.6665 118.1363 54.3413 32.1785 175.1040 32 T 5.1033 8.0814 109.1256 60.3401 72.2893 173.3832 33 V 4.5270 8.7191 114.0936 60.6930 35.7282 176.2692 34 G 4.6654 8.7605 108.4061 45.6816 0.0000 174.7120 35 S 4.0900 8.7186 113.4669 60.8544 62.5106 174.6101 36 N 4.5757 8.3372 115.1777 52.0945 38.4685 174.7972 37 S 3.6553 7.7256 111.6069 59.1849 60.6273 170.1792 38 Y 4.9778 8.7927 121.2818 54.8930 40.7003 173.3656 39 P 5.7035 0.0000 0.0000 62.9324 32.7325 174.8321 40 H 5.2419 8.6410 115.3095 53.4636 32.5360 172.2655 41 K 4.2065 8.9705 120.3611 57.1018 32.8823 175.1142 42 Y 4.7902 8.5388 127.7888 56.1529 39.4602 175.4177 43 N 4.2511 8.4565 124.5337 53.7654 39.4646 174.5453 44 N 3.9824 6.1126 115.4666 54.5019 37.1047 175.5965 *45 Y 3.9333 7.7133 115.9441 60.7182 38.0022 178.1072 46 E 3.7473 7.9210 118.2140 57.1834 29.7189 176.6551 47 G 3.6065 7.3994 106.1585 46.3097 0.0000 174.1181 48 F 4.2232 6.7227 116.9150 57.2447 39.6466 176.4012 49 D 4.5705 8.1875 124.6639 53.0763 39.5033 175.8639 50 F 4.8563 7.6342 120.8916 57.0093 40.1645 175.5690 51 S 4.9599 8.5666 116.0545 57.8661 63.3993 174.1930 52 V 4.5863 7.7473 118.5273 61.9764 34.6820 174.6648 53 S 4.4179 8.5750 120.2477 57.9420 63.6584 173.9518 54 S 3.0145 8.0005 116.8529 56.4176 63.7452 171.7297 55 P 4.1282 0.0000 0.0000 62.7614 32.7789 174.6786 56 Y 4.9429 7.7737 117.0959 56.5510 41.5482 174.3350 57 Y 5.0547 8.4232 117.7841 56.1384 42.4626 174.2442 58 A 5.2158 8.8974 123.4870 50.0314 22.2645 175.3707 59 W 5.4507 8.9755 130.5120 54.9522 34.5777 172.7247 60 P 4.4021 0.0000 0.0000 62.3985 31.4312 175.4076 61 I 4.4124 7.9136 123.2211 59.0469 40.5729 174.5845 62 L 4.9005 8.2565 128.2028 52.6400 44.1064 177.7995 63 S 4.2558 8.8491 117.3630 60.8840 63.1170 175.4298 64 S 4.2010 8.0323 114.4519 59.3388 63.0881 175.0934 65 G 4.0108 8.4062 110.1562 45.3871 0.0000 173.5571 66 D 4.6495 7.3148 118.5324 53.6331 41.7324 175.8323 67 V 4.1456 8.0305 120.6638 61.5330 32.7482 175.1461 68 Y 4.0033 8.6395 126.9648 58.6774 38.6794 176.6170 69 S 4.3539 7.7538 120.9236 57.9372 63.8337 174.1863 70 G 3.4884 5.7462 105.9006 45.9248 0.0000 173.4403 71 G 3.6857 8.2339 103.4191 43.7736 0.0000 172.4267 72 S 4.2191 8.4768 114.5061 58.0357 62.3565 173.1234 73 P 4.0936 0.0000 0.0000 62.3997 31.9498 177.2740 74 G 3.7647 7.8461 107.7228 45.0661 0.0000 172.4038 75 A 4.6610 8.3501 118.0809 52.1061 20.7011 176.7603 76 D 5.3921 7.9435 115.5527 52.8653 43.7581 175.7717 77 R 5.0343 9.3390 120.2934 54.6109 35.2313 174.3799 78 V 4.3354 8.9888 122.0009 60.2820 34.0626 174.8388 79 V 4.8217 8.2925 123.0641 61.1010 34.3769 174.2599 80 F 5.4474 8.2911 121.4058 55.7691 42.3016 172.5943 81 N 5.7090 8.7610 116.6665 50.2514 39.8586 174.9572 82 E 4.1631 9.2394 118.3320 59.5043 29.6976 177.3531 83 N 4.6661 8.4397 113.3941 52.6522 38.9477 173.9351 84 N 3.8216 8.1760 116.0074 54.6387 37.6921 173.6218 85 Q 4.5518 8.1927 115.0115 53.5519 30.7507 175.3716 86 L 4.3777 8.3687 123.7721 55.0948 42.8708 176.0905 87 A 4.2236 8.9131 127.3974 51.8420 20.7003 176.8676 88 G 3.7375 6.3976 101.0637 46.3980 0.0000 171.6471 89 V 4.6430 7.3216 118.7577 60.7377 34.4355 174.3708 90 I 4.7816 8.5194 120.4207 59.6965 41.6003 173.7713 91 T 5.1605 8.7509 115.2046 61.8114 70.6011 174.0450 92 H 4.7279 9.1787 122.9819 57.4452 29.2956 176.3059 93 T 4.0556 7.9209 117.2105 64.9050 68.4495 174.7130 94 G 3.9420 9.2966 114.2054 45.0593 0.0000 172.5580 95 A 4.8356 7.4085 121.2442 49.9362 21.9237 176.4237 96 S 4.5598 8.4581 114.3841 57.7803 65.5471 176.7606 97 G 3.6855 7.9939 110.6338 47.5400 0.0000 173.8747 98 N 4.6473 8.6599 120.9896 52.7136 38.7462 174.4418 99 N 4.8756 8.1801 117.4449 53.3103 39.3180 173.6999 100 F 5.4859 8.8936 117.6152 56.0974 42.7044 175.2444 101 V 4.9500 9.1728 113.1126 59.8471 35.9508 174.9120 102 E 4.3617 8.6735 121.7012 55.5843 30.6958 177.1643 103 C 4.7577 8.5657 120.8757 57.0837 41.2158 174.1587 104 T 4.2106 8.3235 111.9027 61.8580 68.4026 173.8217 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.49 4.42 0.00 3.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 9.64 4.39 0.00 2.77 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 7.91 4.93 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.71 5.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 C 9.17 4.82 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.37 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.76 4.63 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.17 4.71 0.00 2.75 2.16 0.00 0.00 6.83 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.09 5.32 0.00 2.69 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 9.09 5.23 0.00 2.99 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.51 5.08 0.00 3.93 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 9.20 4.25 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.06 4.14 0.00 4.11 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.15 4.38 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.05 3.48 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.78 0.00 0.00 17 S 8.34 4.09 0.00 4.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.21 3.79 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 19 A 7.92 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.17 3.67 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 21 A 7.77 3.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.64 3.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 6.76 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.54 3.61 0.00 2.19 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.80 3.76 0.00 1.78 1.71 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.59 7.81 26 L 7.54 3.84 0.00 1.47 1.82 1.16 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.94 3.93 0.00 3.16 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.53 3.62 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.17 0.00 29 D 7.98 4.47 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.53 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.67 4.76 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 32 T 8.08 5.10 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 33 V 8.72 4.53 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.33 0.00 0.00 34 G 8.76 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.72 4.09 0.00 3.89 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.34 4.58 0.00 2.84 2.45 0.00 0.00 6.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.73 3.66 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.79 4.98 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 5.70 0.00 2.32 2.49 0.00 3.66 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 40 H 8.64 5.24 0.00 3.22 3.54 0.00 5.48 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.97 4.21 0.00 1.77 1.80 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.58 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.30 7.81 42 Y 8.54 4.79 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.46 4.25 0.00 2.54 2.71 0.00 0.00 7.13 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 6.11 3.98 0.00 3.13 2.92 0.00 0.00 7.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *45 Y 7.71 3.93 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.92 3.75 0.00 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 47 G 7.40 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 6.72 4.22 0.00 1.75 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.19 4.57 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.63 4.86 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.57 4.96 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.75 4.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 53 S 8.58 4.42 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.00 3.01 0.00 3.34 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.13 0.00 1.74 2.03 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 56 Y 7.77 4.94 0.00 3.19 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.42 5.05 0.00 1.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.90 5.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.98 5.45 0.00 3.65 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.40 0.00 0.74 1.19 0.00 2.20 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.91 4.41 1.58 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.65 0.44 0.00 0.00 62 L 8.26 4.90 0.00 1.88 1.56 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.85 4.26 0.00 3.92 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.03 4.20 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.41 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.31 4.65 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.03 4.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 68 Y 8.64 4.00 0.00 2.55 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.75 4.35 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 5.75 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.23 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.48 4.22 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.09 0.00 1.67 1.45 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 74 G 7.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.35 4.66 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.94 5.39 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 9.34 5.03 0.00 1.36 1.69 0.00 3.36 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 78 V 8.99 4.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.91 0.00 0.00 79 V 8.29 4.82 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.27 0.00 0.00 80 F 8.29 5.45 0.00 3.21 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.76 5.71 0.00 3.12 3.23 0.00 0.00 6.54 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.24 4.16 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 83 N 8.44 4.67 0.00 2.98 2.84 0.00 0.00 6.87 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.18 3.82 0.00 1.44 2.24 0.00 0.00 7.03 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.19 4.55 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 86 L 8.37 4.38 0.00 1.77 1.55 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.91 4.22 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 6.40 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.32 4.64 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.04 0.00 0.00 90 I 8.52 4.78 1.78 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.22 0.33 0.00 0.00 91 T 8.75 5.16 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 92 H 9.18 4.73 0.00 3.16 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.92 4.06 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 94 G 9.30 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.41 4.84 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.46 4.56 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.99 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.66 4.65 0.00 2.68 2.78 0.00 0.00 6.79 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.18 4.88 0.00 2.90 2.82 0.00 0.00 6.79 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.89 5.49 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 9.17 4.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.13 0.00 0.00 102 E 8.67 4.36 0.00 1.70 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 103 C 8.57 4.76 0.00 3.03 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.32 4.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.